7-chloranyl-3-(3-methylbutyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C23H27ClN6O2S MolecularWeight: 487.01748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27ClN6O2S/c1-16(2)6-9-30-21(32)18-5-4-17(24)14-19(18)27-23(30)33-15-20(31)28-10-12-29(13-11-28)22-25-7-3-8-26-22/h3-5,7-8,14,16H,6,9-13,15H2,1-2H3